Structure Database (LMSD)
Common Name
16Z-Insignoic acid A
Systematic Name
6-hydroxy-4-oxotetracosa-2E,16Z-dienoic acid
Synonyms
LM ID
LMFA01060243
Formula
Exact Mass
Calculate m/z
394.30831
Sum Composition
Status
Active
3D model of 16Z-Insignoic acid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
DXRKVCQAINLCNW-JSSYWGFQSA-N
InChi (Click to copy)
InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h8-9,19-20,22,25H,2-7,10-18,21H2,1H3,(H,27,28)/b9-8-,20-19+
SMILES (Click to copy)
C(/C=C/C(=O)CC(O)CCCCCCCCC/C=C\CCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
448.36
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.66
Molar Refractivity
116.99
Admin
Created at
11th Jan 2024
Updated at
11th Jan 2024